==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-JAN-07 2OLR . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR J.J.COTELESAGE,L.T.DELBAERE,H.GOLDIE,J.PUTTICK,B.RAJABI,B.NO . 535 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 2 0 0 1 2 0 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 5 2 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A G 0 0 75 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0-166.3 54.5 -16.1 21.5 2 7 A L - 0 0 24 16,-0.0 18,-0.1 113,-0.0 16,-0.0 -0.988 360.0-129.0-154.1 153.4 56.1 -17.2 18.2 3 8 A T >> - 0 0 60 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.554 32.7-107.8 -98.6 157.9 59.6 -18.0 16.9 4 9 A P H 3> S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 11,-0.2 0.797 124.0 56.5 -51.1 -28.1 61.5 -16.7 13.8 5 10 A Q H 3> S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.843 102.4 53.7 -71.2 -35.6 60.8 -20.2 12.4 6 11 A E H <> S+ 0 0 78 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.886 111.6 44.5 -65.0 -42.1 57.1 -19.8 12.9 7 12 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.0 0.857 108.0 59.3 -66.9 -36.2 57.2 -16.5 10.9 8 13 A E H ><5S+ 0 0 118 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.859 96.3 62.5 -58.6 -36.3 59.4 -18.3 8.4 9 14 A A H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.771 101.9 50.6 -59.2 -29.6 56.4 -20.8 7.9 10 15 A Y T <<5S- 0 0 42 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.518 128.8-100.5 -82.6 -10.0 54.4 -17.8 6.7 11 16 A G T < 5S+ 0 0 38 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.489 82.8 131.0 99.6 9.1 57.2 -16.9 4.2 12 17 A I < - 0 0 1 -5,-2.1 3,-0.3 -6,-0.1 -1,-0.2 -0.845 40.6-162.4-102.4 116.8 58.7 -14.1 6.3 13 18 A S + 0 0 45 -2,-0.6 97,-2.0 92,-0.3 -8,-0.1 -0.575 50.1 8.5-106.0 156.1 62.5 -14.5 6.7 14 19 A D + 0 0 144 95,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.811 65.2 168.2 53.0 41.5 65.3 -13.2 8.8 15 20 A V + 0 0 10 -3,-0.3 -1,-0.2 -11,-0.2 3,-0.1 -0.801 5.7 171.8 -84.0 118.9 63.2 -11.5 11.4 16 21 A H + 0 0 167 -2,-0.7 2,-0.6 95,-0.2 -1,-0.2 0.797 64.9 47.3 -96.4 -38.6 65.6 -10.7 14.2 17 22 A D + 0 0 99 94,-0.3 96,-2.0 2,-0.0 2,-0.5 -0.942 66.7 179.3-112.0 119.2 63.5 -8.5 16.5 18 23 A I E -a 113 0A 50 -2,-0.6 2,-0.7 94,-0.2 96,-0.2 -0.984 13.5-164.9-122.3 124.1 59.9 -9.7 17.2 19 24 A V E -a 114 0A 30 94,-3.0 96,-2.5 -2,-0.5 2,-0.4 -0.896 15.0-167.7-107.8 98.6 57.5 -7.8 19.4 20 25 A Y E -a 115 0A 54 -2,-0.7 96,-0.2 1,-0.2 3,-0.1 -0.771 67.1 -8.3 -89.9 131.5 54.7 -10.2 20.3 21 26 A N S S- 0 0 52 94,-3.1 -1,-0.2 -2,-0.4 95,-0.2 0.953 85.3-145.7 51.8 58.9 51.5 -8.8 21.9 22 27 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.269 10.9-125.8 -58.3 138.0 52.9 -5.3 22.4 23 28 A S > - 0 0 59 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.356 20.9-110.7 -76.7 161.6 51.6 -3.6 25.5 24 29 A Y H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 120.1 55.0 -58.0 -39.6 49.9 -0.2 25.4 25 30 A D H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 108.2 47.2 -60.8 -42.6 53.0 1.3 27.2 26 31 A L H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.7 51.9 -65.2 -40.2 55.3 -0.1 24.5 27 32 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.904 108.0 52.7 -66.2 -37.8 53.1 1.2 21.7 28 33 A Y H X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.952 112.6 43.3 -59.1 -51.6 53.1 4.7 23.3 29 34 A Q H X S+ 0 0 129 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.872 113.2 53.1 -65.4 -35.0 56.9 4.8 23.5 30 35 A E H >< S+ 0 0 36 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.907 109.8 47.5 -62.8 -45.9 57.3 3.4 20.0 31 36 A E H 3< S+ 0 0 1 -4,-2.4 11,-2.1 1,-0.2 -1,-0.2 0.814 114.3 46.7 -66.4 -32.5 55.0 6.0 18.4 32 37 A L H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.452 73.0 134.0 -95.0 -2.6 56.7 8.9 20.2 33 38 A D X< - 0 0 65 -4,-0.7 3,-1.6 -3,-0.6 9,-0.2 -0.277 53.4-143.9 -46.0 116.1 60.3 7.8 19.4 34 39 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.602 93.6 62.6 -70.9 -7.5 61.8 11.2 18.3 35 40 A S T 3 S+ 0 0 92 2,-0.1 -2,-0.1 0, 0.0 6,-0.1 0.504 76.0 117.1 -93.9 -6.3 63.9 9.5 15.6 36 41 A L < - 0 0 31 -3,-1.6 2,-0.3 -6,-0.1 -5,-0.0 -0.295 51.0-151.5 -60.6 145.6 61.0 8.1 13.6 37 42 A T > - 0 0 105 4,-0.0 3,-1.1 0, 0.0 4,-0.2 -0.838 45.1 -13.9-116.5 154.9 60.6 9.4 10.0 38 43 A G G > S- 0 0 35 -2,-0.3 3,-1.7 1,-0.2 15,-0.1 -0.118 119.1 -9.5 64.2-145.4 57.6 9.8 7.8 39 44 A Y G 3 S+ 0 0 96 1,-0.3 14,-0.3 13,-0.1 -1,-0.2 0.564 121.3 71.6 -76.4 -6.9 54.2 8.3 8.4 40 45 A E G < S+ 0 0 26 -3,-1.1 -1,-0.3 12,-0.1 98,-0.2 0.747 77.6 110.5 -70.2 -22.2 55.2 6.1 11.3 41 46 A R < - 0 0 147 -3,-1.7 12,-0.6 -4,-0.2 2,-0.3 -0.247 49.1-166.8 -65.7 135.5 55.6 9.3 13.5 42 47 A G E -I 52 0B 12 -11,-2.1 2,-0.4 -9,-0.2 10,-0.2 -0.868 4.5-156.0-113.3 155.4 53.3 10.0 16.3 43 48 A V E -I 51 0B 71 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.970 20.9-119.1-128.0 144.0 52.9 13.3 18.2 44 49 A L E -I 50 0B 78 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.709 26.9-153.7 -86.3 129.8 51.5 13.7 21.8 45 50 A T > - 0 0 5 4,-2.0 3,-1.8 -2,-0.4 270,-0.2 -0.556 28.9-110.2 -97.6 165.0 48.4 15.8 22.2 46 51 A N T 3 S+ 0 0 101 268,-2.4 269,-0.1 1,-0.3 -1,-0.1 0.706 117.3 64.3 -67.9 -18.6 47.3 17.8 25.3 47 52 A L T 3 S- 0 0 41 267,-0.3 254,-0.3 2,-0.2 -1,-0.3 0.533 118.4-112.6 -79.2 -8.5 44.5 15.3 25.8 48 53 A G S < S+ 0 0 24 -3,-1.8 2,-0.3 1,-0.4 254,-0.3 0.318 79.7 119.7 96.6 -6.9 47.2 12.6 26.4 49 54 A A - 0 0 0 252,-0.2 -4,-2.0 250,-0.2 -1,-0.4 -0.675 64.3-120.2 -89.4 144.2 46.4 10.7 23.2 50 55 A V E -Ij 44 304B 2 253,-0.9 255,-2.5 -2,-0.3 2,-0.4 -0.614 24.6-152.5 -79.9 142.6 49.0 10.1 20.4 51 56 A A E +Ij 43 305B 5 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.3 -0.954 15.5 177.6-116.7 137.3 48.1 11.4 17.0 52 57 A V E -Ij 42 306B 3 253,-2.7 255,-2.8 -2,-0.4 2,-0.4 -0.883 27.4-125.6-128.4 163.2 49.4 10.0 13.7 53 58 A D - 0 0 55 -12,-0.6 3,-0.1 -14,-0.3 5,-0.0 -0.926 13.2-148.0-105.2 138.0 48.9 10.6 10.0 54 59 A T - 0 0 0 -2,-0.4 147,-0.5 1,-0.3 3,-0.5 0.377 40.0-126.3 -92.0 5.1 47.9 7.6 7.9 55 60 A G - 0 0 12 1,-0.2 -1,-0.3 146,-0.1 145,-0.1 -0.555 62.5 -18.7 94.6-150.7 49.7 8.7 4.8 56 61 A I S S+ 0 0 138 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.872 126.5 67.2 -64.3 -37.8 48.3 9.2 1.3 57 62 A F + 0 0 41 -3,-0.5 144,-0.1 142,-0.2 3,-0.1 -0.776 50.7 165.7 -87.0 121.6 45.3 7.0 2.1 58 63 A T S S+ 0 0 33 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.083 70.7 19.7-120.5 18.0 43.0 8.5 4.6 59 64 A G S S- 0 0 20 -5,-0.1 143,-0.2 265,-0.0 146,-0.1 -0.936 101.3 -60.4-164.2 178.7 40.1 6.1 4.0 60 65 A R - 0 0 91 -2,-0.3 -2,-0.1 144,-0.1 3,-0.1 -0.213 36.3-139.7 -66.4 162.0 39.5 2.7 2.4 61 66 A S > + 0 0 16 1,-0.1 3,-2.0 -4,-0.1 4,-0.1 -0.756 23.7 173.9-124.8 80.4 40.3 2.0 -1.2 62 67 A P G > S+ 0 0 44 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.824 76.9 65.0 -59.6 -30.3 37.5 -0.2 -2.5 63 68 A K G 3 S+ 0 0 134 1,-0.3 118,-0.3 -3,-0.1 119,-0.1 0.653 101.8 50.3 -68.3 -11.6 38.9 -0.0 -6.1 64 69 A D G < S+ 0 0 3 -3,-2.0 122,-2.5 117,-0.1 2,-0.5 0.244 85.1 115.6-107.4 10.9 42.0 -2.0 -4.8 65 70 A K E < +b 186 0A 14 -3,-1.7 25,-1.0 120,-0.2 2,-0.3 -0.718 39.0 172.2 -88.6 128.1 40.0 -4.7 -3.1 66 71 A Y E -bc 187 90A 14 120,-2.5 122,-2.0 -2,-0.5 2,-0.4 -0.976 20.7-159.5-137.9 145.9 40.3 -8.3 -4.5 67 72 A I E -bc 188 91A 0 23,-2.7 25,-2.4 -2,-0.3 2,-0.2 -0.991 30.7-115.6-122.8 129.4 39.2 -11.8 -3.5 68 73 A V E - c 0 92A 1 120,-3.0 2,-0.7 -2,-0.4 122,-0.3 -0.456 26.3-144.1 -65.4 126.2 40.9 -14.9 -4.8 69 74 A R + 0 0 70 23,-2.4 2,-0.2 -2,-0.2 -1,-0.1 -0.871 44.0 132.3 -94.3 114.2 38.4 -16.9 -6.9 70 75 A D S > S- 0 0 20 -2,-0.7 4,-2.6 23,-0.1 3,-0.2 -0.753 73.9 -69.1-146.0-170.0 39.0 -20.6 -6.4 71 76 A D T 4 S+ 0 0 133 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.746 129.0 53.2 -67.8 -18.6 36.9 -23.7 -5.7 72 77 A T T 4 S+ 0 0 80 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.891 123.0 24.7 -79.7 -39.7 36.1 -22.5 -2.2 73 78 A T T >> S+ 0 0 0 -3,-0.2 4,-2.3 -5,-0.1 3,-0.9 0.641 96.1 91.8-100.7 -17.1 34.8 -19.1 -3.2 74 79 A R T 3< S+ 0 0 107 -4,-2.6 5,-0.2 1,-0.3 -3,-0.1 0.860 96.3 30.6 -51.6 -47.5 33.6 -19.5 -6.8 75 80 A D T 34 S+ 0 0 150 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.460 125.5 39.9 -98.7 -1.0 29.9 -20.4 -6.1 76 81 A T T <4 S+ 0 0 55 -3,-0.9 336,-0.3 -4,-0.1 -2,-0.2 0.690 89.0 93.5-115.9 -28.3 29.2 -18.5 -2.9 77 82 A F S < S- 0 0 11 -4,-2.3 2,-1.4 334,-0.1 334,-0.2 -0.343 77.0-122.3 -70.3 147.6 30.9 -15.2 -3.2 78 83 A W - 0 0 14 332,-2.3 11,-0.3 331,-0.1 2,-0.1 -0.717 41.5-153.8 -86.6 90.1 29.0 -12.2 -4.5 79 84 A W > - 0 0 11 -2,-1.4 3,-1.2 -5,-0.2 5,-0.5 -0.383 20.6-136.7 -78.0 144.2 31.4 -11.5 -7.4 80 85 A A T 3 S+ 0 0 34 9,-2.5 3,-0.3 1,-0.2 7,-0.2 0.761 106.4 43.1 -65.4 -25.0 31.9 -8.0 -9.0 81 86 A D T 3 S+ 0 0 93 8,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.323 88.5 90.6-105.4 7.5 31.8 -9.6 -12.5 82 87 A K S < S- 0 0 66 -3,-1.2 -1,-0.2 3,-0.2 -2,-0.1 0.407 94.5-114.2 -93.1 1.8 28.9 -12.0 -12.1 83 88 A G S S+ 0 0 80 -3,-0.3 3,-0.1 -4,-0.2 -3,-0.1 0.815 84.1 114.9 74.1 29.9 26.0 -9.8 -13.2 84 89 A K S S- 0 0 40 -5,-0.5 -1,-0.1 1,-0.4 2,-0.1 -0.017 87.1 -62.0-119.1 28.8 24.3 -9.8 -9.8 85 90 A G S S- 0 0 33 -5,-0.1 -1,-0.4 327,-0.1 -3,-0.2 -0.054 70.6 -57.3 106.6 152.3 24.7 -6.0 -9.0 86 91 A K + 0 0 180 -3,-0.1 2,-0.3 -2,-0.1 -6,-0.1 -0.409 66.2 144.2 -65.3 130.7 27.6 -3.6 -8.4 87 92 A N - 0 0 7 -7,-0.2 320,-0.1 -2,-0.2 -2,-0.1 -0.950 55.0-116.9-154.2 175.8 30.1 -4.5 -5.7 88 93 A D S S+ 0 0 35 318,-0.3 2,-2.2 -2,-0.3 -9,-0.1 0.296 73.5 115.9-100.1 8.5 33.8 -4.4 -4.9 89 94 A N - 0 0 2 -11,-0.3 -9,-2.5 320,-0.1 -8,-0.3 -0.467 46.7-179.6 -79.1 73.7 34.4 -8.1 -4.8 90 95 A K E -c 66 0A 43 -2,-2.2 -23,-2.7 -25,-1.0 2,-0.1 -0.564 28.6-113.3 -82.0 136.2 36.8 -8.2 -7.8 91 96 A P E -c 67 0A 42 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.409 30.0-164.5 -75.4 140.6 38.1 -11.7 -8.6 92 97 A L E -c 68 0A 6 -25,-2.4 -23,-2.4 -2,-0.1 -26,-0.0 -0.960 18.1-121.8-123.3 141.2 41.8 -12.5 -8.2 93 98 A S > - 0 0 40 -2,-0.4 4,-2.4 -25,-0.2 5,-0.1 -0.468 19.2-125.1 -76.8 149.8 43.8 -15.4 -9.6 94 99 A P H > S+ 0 0 56 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.862 113.3 54.4 -56.3 -34.9 45.6 -17.8 -7.3 95 100 A E H > S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.927 108.3 46.2 -67.7 -42.8 48.8 -17.0 -9.4 96 101 A T H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 108.4 58.1 -67.3 -37.9 48.5 -13.3 -8.9 97 102 A W H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.907 103.3 52.4 -53.9 -47.0 47.8 -13.9 -5.2 98 103 A Q H X S+ 0 0 95 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.894 107.9 51.5 -60.9 -38.3 51.2 -15.7 -4.9 99 104 A H H X S+ 0 0 112 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.940 111.6 46.6 -60.8 -45.2 52.9 -12.7 -6.5 100 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.887 110.5 53.0 -65.8 -38.1 51.2 -10.3 -4.0 101 106 A K H X S+ 0 0 38 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.890 106.9 52.9 -65.1 -37.2 52.1 -12.6 -1.1 102 107 A G H X S+ 0 0 14 -4,-2.1 4,-2.1 -5,-0.2 5,-0.3 0.908 108.0 51.5 -62.0 -41.9 55.7 -12.5 -2.2 103 108 A L H X S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 115.6 40.2 -58.7 -52.0 55.7 -8.7 -2.2 104 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.928 115.1 48.9 -68.2 -47.9 54.3 -8.5 1.3 105 110 A T H X S+ 0 0 14 -4,-2.8 4,-1.1 1,-0.2 -92,-0.3 0.899 113.6 47.7 -64.3 -36.7 56.4 -11.3 2.9 106 111 A R H < S+ 0 0 159 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.927 109.6 53.6 -67.8 -40.0 59.6 -9.9 1.4 107 112 A Q H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.906 112.6 43.8 -58.8 -40.8 58.7 -6.4 2.6 108 113 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.1 -1,-0.2 0.632 93.6 101.9 -82.0 -14.4 58.3 -7.7 6.2 109 114 A S T 3< S+ 0 0 24 -4,-1.1 -95,-0.2 -3,-0.5 -94,-0.1 -0.423 87.3 16.0 -67.8 141.3 61.4 -9.9 6.0 110 115 A G T 3 S+ 0 0 53 -97,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.670 106.2 111.8 70.2 18.0 64.5 -8.5 7.8 111 116 A K S < S- 0 0 69 -3,-1.1 2,-0.6 -94,-0.0 -94,-0.3 -0.770 79.6-101.7-116.3 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A K H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 107.8 43.8 -53.7 -49.5 20.0 17.1 20.7 449 454 A D H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 113.9 50.9 -63.7 -44.5 16.8 16.5 18.6 450 455 A T H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.918 108.9 50.1 -62.7 -43.8 18.1 13.2 17.2 451 456 A R H X S+ 0 0 41 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.909 110.8 50.4 -61.3 -40.4 19.1 11.9 20.7 452 457 A A H X S+ 0 0 13 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.885 109.4 51.5 -63.8 -38.1 15.6 12.8 21.9 453 458 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 109.7 48.7 -62.4 -45.3 14.1 11.0 19.0 454 459 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.921 109.3 53.4 -62.9 -41.9 16.2 7.9 19.8 455 460 A D H X S+ 0 0 39 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.921 108.9 49.6 -53.9 -47.2 15.0 8.1 23.4 456 461 A A H X>S+ 0 0 3 -4,-2.1 6,-2.1 1,-0.2 5,-0.6 0.849 110.5 49.9 -65.4 -34.9 11.4 8.2 22.2 457 462 A I H ><5S+ 0 0 0 -4,-2.0 3,-0.8 4,-0.2 6,-0.2 0.963 114.7 43.5 -63.6 -50.0 11.9 5.1 20.0 458 463 A L H 3<5S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 114.3 47.5 -70.3 -35.4 13.6 3.1 22.8 459 464 A N H 3<5S- 0 0 107 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.445 113.1-109.8 -89.5 -1.4 11.1 4.0 25.6 460 465 A G T 4 S+ 0 0 3 -6,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.932 108.1 54.6 -65.9 -45.9 7.0 6.8 19.5 463 468 A D H 34 S+ 0 0 53 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.758 113.9 43.4 -56.1 -27.3 5.0 3.6 19.4 464 469 A N H 3< S+ 0 0 144 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.479 92.8 108.8 -99.3 -5.2 2.3 5.3 21.5 465 470 A A S << S- 0 0 26 -3,-1.2 2,-0.4 -4,-0.6 16,-0.1 -0.313 79.8-103.3 -71.8 151.9 2.2 8.6 19.6 466 471 A E - 0 0 65 14,-0.1 13,-1.9 -2,-0.0 14,-0.4 -0.649 50.9-168.9 -67.1 128.0 -0.6 9.7 17.4 467 472 A T E -W 478 0D 74 -2,-0.4 2,-0.3 11,-0.2 9,-0.1 -0.899 18.6-172.3-123.0 155.4 0.7 9.2 13.8 468 473 A F E -W 477 0D 71 9,-2.2 9,-3.0 -2,-0.3 2,-0.5 -0.892 33.8 -96.8-134.4 171.0 -0.3 10.2 10.3 469 474 A T E -W 476 0D 85 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.766 23.8-140.6 -97.8 125.0 1.0 9.2 6.9 470 475 A L E >> -W 475 0D 0 5,-2.7 4,-1.2 -2,-0.5 5,-0.8 -0.681 33.6-115.8 -76.2 128.9 3.5 11.3 5.0 471 476 A P T 45S+ 0 0 46 0, 0.0 2,-2.4 0, 0.0 4,-0.2 -0.124 86.7 17.3 -64.7 165.0 2.6 11.3 1.4 472 477 A M T 45S+ 0 0 19 1,-0.3 62,-2.5 62,-0.1 -2,-0.0 -0.371 131.5 43.0 75.7 -59.5 4.8 9.8 -1.4 473 478 A F T 45S- 0 0 1 -2,-2.4 -1,-0.3 60,-0.2 62,-0.1 0.631 98.7-141.9 -88.4 -12.4 7.0 7.8 0.9 474 479 A N T <5 + 0 0 72 -4,-1.2 2,-0.5 1,-0.2 -2,-0.1 0.889 38.6 165.9 55.4 46.1 3.9 6.7 2.9 475 480 A L E < - W 0 470D 0 -5,-0.8 -5,-2.7 -4,-0.2 2,-0.5 -0.796 39.7-125.8-101.6 129.7 5.8 6.9 6.2 476 481 A A E +VW 368 469D 27 -108,-0.9 -108,-1.8 -2,-0.5 -7,-0.2 -0.625 38.6 178.5 -74.5 117.6 4.0 6.8 9.6 477 482 A I E - W 0 468D 0 -9,-3.0 -9,-2.2 -2,-0.5 -110,-0.1 -0.932 25.0-115.6-126.3 147.4 5.2 9.9 11.5 478 483 A P E - W 0 467D 1 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.433 6.0-143.1 -82.4 154.0 4.3 11.4 14.9 479 484 A T S S- 0 0 65 -13,-1.9 2,-0.3 1,-0.3 10,-0.1 0.814 85.8 -5.4 -77.5 -32.6 2.5 14.7 15.6 480 485 A E - 0 0 131 -14,-0.4 -1,-0.3 9,-0.1 -14,-0.1 -0.978 59.1-166.6-157.3 156.2 4.6 15.3 18.7 481 486 A L > - 0 0 9 3,-0.4 3,-1.8 -2,-0.3 -28,-0.1 -0.984 38.6 -93.2-146.0 142.0 7.3 13.6 20.9 482 487 A P T 3 S+ 0 0 93 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 -0.290 108.4 4.9 -55.5 129.5 8.7 14.4 24.4 483 488 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -27,-0.0 -31,-0.2 0.480 106.0 114.3 77.0 3.0 11.8 16.6 24.3 484 489 A V S < S- 0 0 12 -3,-1.8 -3,-0.4 -32,-0.1 2,-0.3 -0.875 77.5-108.7-109.0 138.5 11.7 17.0 20.5 485 490 A D > - 0 0 80 -2,-0.4 3,-0.5 1,-0.2 4,-0.5 -0.499 28.1-150.0 -56.9 118.7 11.1 20.2 18.5 486 491 A T G > S+ 0 0 76 -2,-0.3 3,-1.3 1,-0.2 4,-0.4 0.872 88.8 65.3 -63.5 -37.9 7.5 19.6 17.2 487 492 A K G > S+ 0 0 48 1,-0.3 3,-0.6 2,-0.1 6,-0.3 0.815 97.5 54.1 -55.2 -36.8 8.1 21.7 14.1 488 493 A I G < S+ 0 0 15 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.687 85.3 81.8 -76.9 -17.3 10.8 19.3 12.7 489 494 A L G < S+ 0 0 3 -3,-1.3 -123,-0.3 -4,-0.5 -1,-0.2 0.807 89.4 54.4 -65.1 -31.1 8.7 16.1 12.8 490 495 A D S X S- 0 0 20 -3,-0.6 3,-2.2 -4,-0.4 4,-0.3 -0.922 78.1-152.5-101.7 113.8 6.9 16.9 9.5 491 496 A P G > S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 -51,-0.4 0.683 91.8 67.3 -62.9 -16.7 9.6 17.5 6.9 492 497 A R G > S+ 0 0 53 1,-0.2 3,-1.5 2,-0.1 9,-0.2 0.767 84.2 73.8 -71.6 -23.7 7.2 19.8 5.0 493 498 A N G < S+ 0 0 96 -3,-2.2 -1,-0.2 1,-0.3 -5,-0.1 0.700 88.2 58.7 -66.0 -22.0 7.3 22.3 7.8 494 499 A T G < S+ 0 0 32 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.3 0.283 96.4 76.1 -94.0 10.2 10.9 23.6 7.0 495 500 A Y S < S- 0 0 37 -3,-1.5 -54,-0.1 1,-0.1 4,-0.0 -0.764 94.0-108.4-111.5 164.8 10.0 24.6 3.5 496 501 A A S S- 0 0 87 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.831 101.1 -9.8 -59.1 -33.7 8.0 27.7 2.3 497 502 A S S > S- 0 0 28 1,-0.1 4,-1.5 -5,-0.0 3,-0.5 -0.966 72.5-103.8-156.2 160.5 5.1 25.4 1.4 498 503 A P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.818 118.9 64.0 -57.2 -29.5 4.4 21.6 1.2 499 504 A E H > S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 -3,-0.0 0.879 100.4 50.0 -64.3 -36.5 4.6 22.0 -2.6 500 505 A Q H > S+ 0 0 104 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.916 110.9 48.9 -70.7 -39.8 8.3 23.0 -2.4 501 506 A W H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 3,-0.3 0.937 108.4 56.6 -55.9 -45.3 9.0 19.9 -0.2 502 507 A Q H X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.831 98.5 58.4 -61.4 -35.6 7.1 17.9 -2.8 503 508 A E H X S+ 0 0 143 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.940 112.3 41.0 -56.1 -47.0 9.4 19.0 -5.6 504 509 A K H X S+ 0 0 74 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.884 112.1 55.9 -68.8 -39.4 12.3 17.6 -3.7 505 510 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.877 105.9 51.1 -61.9 -39.1 10.4 14.5 -2.7 506 511 A E H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 109.5 50.3 -64.7 -42.1 9.6 13.6 -6.3 507 512 A T H X S+ 0 0 73 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.963 115.4 42.8 -56.9 -52.9 13.3 13.9 -7.2 508 513 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 110.6 55.3 -64.1 -42.2 14.3 11.6 -4.4 509 514 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.920 106.2 52.1 -57.0 -43.4 11.4 9.1 -5.0 510 515 A K H X S+ 0 0 112 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.886 107.5 52.7 -62.1 -37.1 12.5 8.7 -8.6 511 516 A L H X S+ 0 0 54 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.916 111.1 46.3 -63.2 -44.0 16.1 7.9 -7.4 512 517 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.907 112.7 49.9 -62.7 -44.3 14.7 5.2 -5.0 513 518 A I H X S+ 0 0 61 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.924 112.7 46.2 -64.7 -44.0 12.5 3.7 -7.7 514 519 A D H < S+ 0 0 122 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.901 113.8 49.2 -66.6 -41.9 15.3 3.5 -10.3 515 520 A N H >< S+ 0 0 28 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.910 110.2 50.7 -61.8 -42.2 17.7 2.1 -7.8 516 521 A F H >< S+ 0 0 3 -4,-2.6 3,-2.6 1,-0.2 4,-0.3 0.725 85.7 86.0 -73.7 -20.0 15.2 -0.6 -6.6 517 522 A D G >< S+ 0 0 106 -4,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.822 79.9 64.6 -50.7 -35.5 14.4 -1.8 -10.1 518 523 A K G < S+ 0 0 99 -3,-0.9 3,-0.4 -4,-0.4 -1,-0.3 0.673 98.9 53.3 -64.7 -18.0 17.4 -4.2 -10.0 519 524 A Y G X S+ 0 0 20 -3,-2.6 3,-0.7 1,-0.2 -1,-0.3 0.434 88.6 82.0 -91.4 -0.8 15.8 -6.2 -7.1 520 525 A T T < + 0 0 39 -3,-1.9 -1,-0.2 -4,-0.3 6,-0.2 0.349 61.5 91.1 -90.1 7.4 12.6 -6.7 -9.1 521 526 A D T 3 S+ 0 0 146 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.483 85.2 59.9 -80.7 -3.6 13.9 -9.7 -11.1 522 527 A T S <> S- 0 0 64 -3,-0.7 4,-2.7 1,-0.1 5,-0.2 -0.867 90.6-121.3-115.8 153.9 12.6 -12.0 -8.4 523 528 A P H > S+ 0 0 108 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.893 113.4 52.1 -60.1 -40.5 8.9 -12.2 -7.3 524 529 A A H > S+ 0 0 67 2,-0.2 4,-0.6 1,-0.2 -4,-0.1 0.915 113.2 44.8 -60.9 -45.3 9.7 -11.3 -3.7 525 530 A G H >> S+ 0 0 4 -6,-0.2 3,-1.4 1,-0.2 4,-0.7 0.931 110.3 53.0 -63.3 -50.5 11.6 -8.2 -4.9 526 531 A A H >< S+ 0 0 50 -4,-2.7 3,-0.9 1,-0.3 4,-0.3 0.862 105.9 56.5 -52.7 -38.8 8.8 -7.2 -7.4 527 532 A A H 3< S+ 0 0 66 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.675 98.5 60.8 -69.0 -21.3 6.3 -7.4 -4.5 528 533 A L H XX S+ 0 0 11 -3,-1.4 3,-1.9 -4,-0.6 4,-0.8 0.663 79.0 84.7 -81.6 -17.8 8.3 -4.8 -2.4 529 534 A V G X< S+ 0 0 69 -3,-0.9 3,-1.3 -4,-0.7 -1,-0.2 0.881 84.5 60.8 -48.6 -40.8 7.9 -2.0 -5.0 530 535 A A G 34 S+ 0 0 60 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.750 101.2 53.1 -58.0 -28.0 4.5 -1.3 -3.4 531 536 A A G <4 S+ 0 0 15 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.611 98.8 82.9 -84.6 -14.2 6.3 -0.5 -0.1 532 537 A G S << S- 0 0 1 -3,-1.3 -23,-0.1 -4,-0.8 -159,-0.0 -0.167 100.6 -65.7 -79.1 177.1 8.6 2.0 -1.8 533 538 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 -0.353 52.1-152.9 -63.4 148.1 7.9 5.6 -2.6 534 539 A K 0 0 107 -62,-2.5 -62,-0.1 -3,-0.1 -60,-0.1 -0.993 360.0 360.0-129.0 126.7 5.1 6.1 -5.2 535 540 A L 0 0 122 -2,-0.4 -63,-0.0 -26,-0.1 -29,-0.0 -0.449 360.0 360.0 -71.2 360.0 4.7 9.1 -7.5